REMARK  Name = BDB021158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.557   0.295   0.319  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        1.173   0.368   0.335  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.142  -0.673   0.234  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1       -1.071  -0.042   0.343  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.926   1.312   0.436  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.780   2.176   0.478  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.339  -1.865   0.088  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.509   1.579   0.458  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        1.175   2.783   0.564  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.568   2.739   0.547  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.252   1.508   0.425  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.336  -0.734   0.150  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -2.830  -0.499  -1.282  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.102  -0.171  -2.216  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.170  -0.740  -1.495  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.497  -0.595  -2.441  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.141  -0.981  -0.556  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.321  -1.089  -0.878  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.674  -1.164   0.870  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.422  -0.347   1.150  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  O   LIG    1        3.113  -0.939   0.196  0.00  0.00    -0.491 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.127  -0.913  -1.155  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        4.530  -1.086   0.231  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 3